3-chloranylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-chloranylphenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium Openeye Name: 3-chlorophenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium CAS Name: 3-chlorophenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-chlorophenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium Traditional Name: 3-chlorophenol; 1,3-dimethylcyclopenta-1,3-diene; zirconium Formula: C26H30Cl2O2Zr MolecularWeight: 536.6452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC1)C.CC1=CC(=CC1)C.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr]

Isomeric SMILES

CC1=CC(=CC1)C.CC1=CC(=CC1)C.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr]

InChI

InChI=1S/2C7H10.2C6H5ClO.Zr/c2*1-6-3-4-7(2)5-6;2*7-5-2-1-3-6(8)4-5;/h2*3,5H,4H2,1-2H3;2*1-4,8H;